#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtr s GLU 2 N 0.00 1.05 0.04 0.00 1.03 -1.26 -0.92 118.70 118.64 2jtr s GLU 2 Ca 0.00 -0.53 -0.11 0.00 0.03 0.00 0.00 54.97 54.36 2jtr s GLU 2 Cb 0.00 0.47 0.01 0.00 -0.80 0.00 0.00 34.13 33.81 2jtr s GLU 2 CO 0.00 -0.40 0.23 -1.01 -1.33 0.00 0.00 175.26 172.75 2jtr s HIS 3 N -3.28 -0.00 -0.38 4.83 3.76 -1.13 -4.91 115.29 114.18 2jtr s HIS 3 Ca -0.00 -0.19 -0.14 0.00 -0.15 0.00 0.00 55.06 54.57 2jtr s HIS 3 Cb 0.01 0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.72 2jtr s HIS 3 CO -0.08 -0.46 0.28 -1.58 -0.85 0.00 0.00 174.74 172.05 2jtr s TRP 4 N -2.57 3.24 -0.39 1.40 0.52 -1.26 -0.91 118.94 118.96 2jtr s TRP 4 Ca -0.05 -0.44 -0.04 0.00 0.02 0.00 0.00 56.10 55.59 2jtr s TRP 4 Cb -0.01 -2.55 0.09 0.00 -1.15 0.00 0.00 33.47 29.86 2jtr s TRP 4 CO -0.04 -0.50 0.18 0.42 0.02 0.00 0.00 176.95 177.04 2jtr s ILE 5 N 1.70 3.48 0.45 2.03 1.09 -0.27 -1.57 121.20 128.11 2jtr s ILE 5 Ca 0.05 -1.77 -0.24 0.00 -1.10 0.00 0.00 60.65 57.59 2jtr s ILE 5 Cb -0.18 -3.25 -0.08 0.00 -1.06 0.00 0.00 42.46 37.89 2jtr s ILE 5 CO 0.10 -0.54 1.24 -0.62 -0.10 0.00 0.00 174.94 175.02 2jtr s ASP 6 N 1.82 6.12 0.00 3.58 -1.08 0.39 -3.72 116.67 123.78 2jtr s ASP 6 Ca 0.04 2.50 0.00 0.00 -0.52 0.00 0.00 52.55 54.57 2jtr s ASP 6 Cb -0.22 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 38.62 2jtr s ASP 6 CO -0.02 -0.97 0.85 0.52 0.52 0.00 0.00 175.17 176.07 2jtr n VAL 7 N -0.29 0.71 -0.98 1.11 0.31 -1.17 -1.11 118.33 116.90 2jtr n VAL 7 Ca 0.06 -0.72 -0.32 0.00 -0.01 0.00 0.00 64.34 63.35 2jtr n VAL 7 Cb 0.46 0.65 0.14 0.00 -0.91 0.00 0.00 33.84 34.18 2jtr n VAL 7 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2jtr s ARG 8 N -0.71 1.46 0.50 5.55 0.52 -1.26 -1.56 118.95 123.46 2jtr s ARG 8 Ca 0.00 1.63 -0.22 0.00 -0.52 0.00 0.00 55.73 56.62 2jtr s ARG 8 Cb 0.00 -1.77 -0.08 0.00 0.52 0.00 0.00 34.95 33.62 2jtr s ARG 8 CO 0.00 -2.32 1.06 1.33 0.02 0.00 0.00 175.30 175.40 2jtr n VAL 9 N -3.66 3.02 0.12 3.52 0.24 -1.26 -3.98 118.33 116.33 2jtr n VAL 9 Ca 0.12 -0.50 0.05 0.00 -2.04 0.00 0.00 64.34 61.97 2jtr n VAL 9 Cb 0.51 -1.27 0.49 0.00 -1.47 0.00 0.00 33.84 32.11 2jtr n VAL 9 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jtr h PRO 10 N 1.24 0.27 0.00 7.34 0.13 -1.98 -0.16 132.00 138.84 2jtr h PRO 10 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2jtr h PRO 10 Cb 1.34 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2jtr h PRO 10 CO 0.55 0.24 -0.03 0.93 -0.23 0.00 0.00 178.00 179.45 2jtr h GLU 11 N 0.27 0.00 0.02 0.86 5.08 -2.01 -2.82 114.58 115.99 2jtr h GLU 11 Ca 0.07 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.14 2jtr h GLU 11 Cb 0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2jtr h GLU 11 CO -0.01 0.00 -1.61 1.96 -1.00 0.00 0.00 179.01 178.35 2jtr h GLN 12 N 0.00 0.05 0.06 2.33 1.08 -1.42 -3.38 115.11 113.83 2jtr h GLN 12 Ca 0.00 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2jtr h GLN 12 Cb 0.77 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 2jtr h GLN 12 CO 0.00 0.69 -0.03 -0.92 -0.95 0.00 0.00 178.83 177.62 2jtr h TYR 13 N 0.01 -0.07 0.00 2.96 3.20 -1.19 -3.23 116.97 118.65 2jtr h TYR 13 Ca -0.25 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.61 2jtr h TYR 13 Cb 1.98 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 40.27 2jtr h TYR 13 CO 0.01 -0.01 -0.04 1.96 -1.64 0.00 0.00 178.16 178.44 2jtr h GLN 14 N -0.12 0.00 -0.60 1.82 4.20 -1.67 -3.08 115.11 115.65 2jtr h GLN 14 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2jtr h GLN 14 Cb 0.10 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2jtr h GLN 14 CO 0.01 0.04 0.15 1.96 -0.67 0.00 0.00 178.83 180.33 2jtr h GLN 15 N 0.00 0.94 -1.28 1.46 4.20 -1.74 -0.65 115.11 118.04 2jtr h GLN 15 Ca -0.00 -0.20 0.15 0.00 0.06 0.00 0.00 58.65 58.66 2jtr h GLN 15 Cb 0.15 -0.14 -0.30 0.00 0.30 0.00 0.00 27.48 27.49 2jtr h GLN 15 CO 0.01 0.83 0.66 -2.00 -0.67 0.00 0.00 178.83 177.66 2jtr s GLU 16 N -5.25 0.22 0.09 1.46 2.12 -1.16 -4.66 118.70 111.51 2jtr s GLU 16 Ca -0.11 0.30 -0.16 0.00 0.36 0.00 0.00 54.97 55.37 2jtr s GLU 16 Cb 0.15 0.08 0.03 0.00 0.26 0.00 0.00 34.13 34.66 2jtr s GLU 16 CO 0.82 -0.03 0.38 -3.38 -0.54 0.00 0.00 175.26 172.50 2jtr s HIS 17 N 0.53 -0.18 -0.00 5.30 -3.43 0.08 -4.87 115.29 112.72 2jtr s HIS 17 Ca 0.00 -0.04 -0.30 0.00 -0.80 0.00 0.00 55.06 53.92 2jtr s HIS 17 Cb -0.04 0.20 -0.06 0.00 -1.43 0.00 0.00 32.58 31.25 2jtr s HIS 17 CO -0.12 -0.63 1.57 0.08 -2.00 0.00 0.00 174.74 173.64 2jtr s VAL 18 N -3.28 3.46 0.89 -5.38 1.01 -1.26 -0.67 120.40 115.17 2jtr s VAL 18 Ca -0.00 0.77 -0.12 0.00 0.00 0.00 0.00 61.98 62.63 2jtr s VAL 18 Cb 0.01 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 32.99 2jtr s VAL 18 CO -0.08 -0.03 0.96 0.00 0.00 0.00 0.00 175.10 175.95 2jtr n GLN 19 N 6.12 -0.23 -2.75 2.72 0.00 -1.26 -4.01 117.38 117.96 2jtr n GLN 19 Ca 0.16 -0.00 -0.07 0.00 0.00 0.00 0.00 57.00 57.09 2jtr n GLN 19 Cb 0.42 -2.24 0.02 0.00 0.00 0.00 0.00 30.24 28.44 2jtr n GLN 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jtr n GLY 20 N 0.69 0.51 3.28 2.61 0.00 -1.26 -5.05 105.19 105.97 2jtr n GLY 20 Ca 0.11 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 2jtr n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtr s ALA 21 N -3.03 1.30 0.27 4.61 0.00 -1.26 -4.51 121.76 119.14 2jtr s ALA 21 Ca 0.15 -1.77 0.07 0.00 0.00 0.00 0.00 51.96 50.41 2jtr s ALA 21 Cb -0.07 1.38 -0.06 0.00 0.00 0.00 0.00 23.12 24.38 2jtr s ALA 21 CO 0.19 -0.65 -0.07 -1.50 0.00 0.00 0.00 175.76 173.72 2jtr s ILE 22 N -3.78 1.68 -0.05 0.00 2.07 -0.61 -5.03 121.20 115.48 2jtr s ILE 22 Ca 0.38 -2.14 0.06 0.00 -1.41 0.00 0.00 60.65 57.53 2jtr s ILE 22 Cb 0.04 -2.41 -0.01 0.00 0.13 0.00 0.00 42.46 40.21 2jtr s ILE 22 CO 0.18 -0.33 -0.23 0.21 -1.91 0.00 0.00 174.94 172.87 2jtr s ASN 23 N -3.43 2.82 -0.34 4.50 3.84 -1.26 -0.46 114.94 120.60 2jtr s ASN 23 Ca 0.29 -0.47 -0.01 0.00 0.21 0.00 0.00 52.86 52.88 2jtr s ASN 23 Cb 0.03 -0.77 0.13 0.00 -0.55 0.00 0.00 41.25 40.09 2jtr s ASN 23 CO 0.11 0.22 0.19 -0.63 -2.79 0.00 0.00 177.10 174.20 2jtr s ILE 24 N -0.12 0.19 0.61 -5.21 1.01 -0.27 -4.95 121.20 112.47 2jtr s ILE 24 Ca -0.03 -1.51 -0.18 0.00 0.00 0.00 0.00 60.65 58.93 2jtr s ILE 24 Cb -0.13 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 2jtr s ILE 24 CO 0.03 -0.91 0.92 -2.65 0.00 0.00 0.00 174.94 172.33 2jtr n PRO 25 N 4.35 0.83 0.11 2.79 -0.02 -1.26 -4.36 135.00 137.45 2jtr n PRO 25 Ca 0.07 0.32 0.17 0.00 -2.02 0.00 0.00 63.50 62.04 2jtr n PRO 25 Cb 0.38 -2.12 0.71 0.00 -0.02 0.00 0.00 33.50 32.46 2jtr n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2jtr h LEU 26 N 0.41 0.00 -1.36 2.45 5.85 -1.49 0.22 115.31 121.39 2jtr h LEU 26 Ca -0.48 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 2jtr h LEU 26 Cb 1.37 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 2jtr h LEU 26 CO 0.50 0.00 -0.12 0.50 -0.34 0.00 0.00 178.44 178.98 2jtr h LYS 27 N 0.00 0.00 0.00 1.25 1.63 -1.90 -3.35 116.57 114.20 2jtr h LYS 27 Ca 0.15 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.92 2jtr h LYS 27 Cb 0.65 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 2jtr h LYS 27 CO -0.00 0.12 -1.19 0.39 -3.45 0.00 0.00 179.45 175.32 2jtr n GLU 28 N -3.29 1.71 -0.20 1.90 -0.58 0.40 -4.79 120.64 115.79 2jtr n GLU 28 Ca 0.00 -0.02 0.12 0.00 -0.42 0.00 0.00 57.16 56.85 2jtr n GLU 28 Cb 0.36 -1.08 0.43 0.00 -0.57 0.00 0.00 31.44 30.57 2jtr n GLU 28 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2jtr h VAL 29 N 0.00 0.85 0.00 2.62 3.04 -0.85 -0.90 116.25 121.01 2jtr h VAL 29 Ca -0.04 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2jtr h VAL 29 Cb 0.65 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 2jtr h VAL 29 CO 0.00 0.11 0.00 0.11 -1.01 0.00 0.00 177.57 176.78 2jtr h LYS 30 N 0.58 0.00 -0.16 4.17 1.57 -1.86 0.08 116.57 120.95 2jtr h LYS 30 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2jtr h LYS 30 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2jtr h LYS 30 CO -0.15 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.12 2jtr n GLU 31 N -2.79 1.56 0.00 3.15 1.02 -0.35 -4.76 120.64 118.47 2jtr n GLU 31 Ca -0.02 -1.57 0.00 0.00 -0.02 0.00 0.00 57.16 55.55 2jtr n GLU 31 Cb 0.09 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 2jtr n GLU 31 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2jtr n ARG 32 N 0.63 4.50 -0.12 3.49 3.00 -0.53 -4.85 116.66 122.78 2jtr n ARG 32 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.93 2jtr n ARG 32 Cb 0.35 -0.45 0.23 0.00 0.00 0.00 0.00 32.46 32.59 2jtr n ARG 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 2jtr h ILE 33 N 0.00 1.21 -0.87 5.15 6.09 -1.33 -1.05 117.51 126.71 2jtr h ILE 33 Ca 0.00 -0.67 -0.03 0.00 -1.37 0.00 0.00 64.86 62.79 2jtr h ILE 33 Cb 0.00 0.57 -0.04 0.00 0.47 0.00 0.00 36.82 37.82 2jtr h ILE 33 CO 0.00 0.26 0.44 0.00 -3.07 0.00 0.00 178.15 175.78 2jtr h ALA 34 N 1.43 1.12 -0.07 0.18 0.00 -1.82 0.93 119.26 121.03 2jtr h ALA 34 Ca 0.19 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 2jtr h ALA 34 Cb 0.19 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2jtr h ALA 34 CO -0.01 0.66 -0.85 1.79 0.00 0.00 0.00 179.25 180.84 2jtr h THR 35 N 1.23 1.32 -0.13 0.00 1.35 -1.79 -2.96 112.91 111.94 2jtr h THR 35 Ca 0.30 -2.16 -0.22 0.00 -0.55 0.00 0.00 66.41 63.78 2jtr h THR 35 Cb 0.08 2.18 0.01 0.00 -1.73 0.00 0.00 68.15 68.69 2jtr h THR 35 CO -0.04 0.66 -0.80 0.00 -0.25 0.00 0.00 175.52 175.09 2jtr h ALA 36 N 0.65 0.32 -2.33 6.62 0.00 -0.87 -3.40 119.26 120.26 2jtr h ALA 36 Ca -0.07 -0.61 -0.57 0.00 0.00 0.00 0.00 54.91 53.67 2jtr h ALA 36 Cb 1.48 -0.01 -0.37 0.00 0.00 0.00 0.00 17.79 18.88 2jtr h ALA 36 CO 0.16 0.69 -0.93 0.08 0.00 0.00 0.00 179.25 179.25 2jtr s VAL 37 N -3.70 0.23 0.25 0.00 1.01 0.29 -5.00 120.40 113.49 2jtr s VAL 37 Ca -0.10 -2.41 0.19 0.00 0.00 0.00 0.00 61.98 59.67 2jtr s VAL 37 Cb 0.09 -1.16 0.16 0.00 0.00 0.00 0.00 36.38 35.46 2jtr s VAL 37 CO 0.90 -1.14 1.82 1.55 0.00 0.00 0.00 175.10 178.23 2jtr h PRO 38 N 5.84 0.00 -5.99 2.72 0.13 -1.70 -3.41 132.00 129.59 2jtr h PRO 38 Ca 0.23 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.77 2jtr h PRO 38 Cb 0.93 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.95 2jtr h PRO 38 CO 0.34 0.32 0.73 0.34 -0.23 0.00 0.00 178.00 179.50 2jtr s ASP 39 N -6.46 6.28 0.27 1.44 2.15 -1.26 -4.90 116.67 114.18 2jtr s ASP 39 Ca -0.01 -0.44 0.22 0.00 0.43 0.00 0.00 52.55 52.74 2jtr s ASP 39 Cb 0.12 -2.48 1.01 0.00 -0.30 0.00 0.00 42.92 41.28 2jtr s ASP 39 CO 0.67 -1.45 1.66 0.29 -0.17 0.00 0.00 175.17 176.17 2jtr n LYS 40 N 8.08 0.16 0.21 4.34 5.02 -1.26 -1.61 118.16 133.10 2jtr n LYS 40 Ca 0.02 0.51 0.15 0.00 -2.02 0.00 0.00 58.31 56.97 2jtr n LYS 40 Cb 0.48 -1.88 0.56 0.00 -0.02 0.00 0.00 35.03 34.16 2jtr n LYS 40 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2jtr h ASN 41 N 0.00 0.00 -3.96 4.39 -1.24 -1.90 -3.29 115.58 109.58 2jtr h ASN 41 Ca 0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 2jtr h ASN 41 Cb 0.19 0.00 0.10 0.00 0.73 0.00 0.00 38.32 39.35 2jtr h ASN 41 CO 0.00 0.00 0.69 -0.62 -1.29 0.00 0.00 177.43 176.21 2jtr s ASP 42 N -5.18 6.17 -1.21 1.15 2.15 -0.64 -4.81 116.67 114.31 2jtr s ASP 42 Ca 0.03 2.86 -0.17 0.00 0.43 0.00 0.00 52.55 55.70 2jtr s ASP 42 Cb 0.09 -2.65 0.10 0.00 -0.30 0.00 0.00 42.92 40.16 2jtr s ASP 42 CO 0.51 -0.97 1.57 -0.89 -0.17 0.00 0.00 175.17 175.22 2jtr s THR 43 N -1.19 4.40 -0.60 1.71 2.01 -0.10 -4.52 115.64 117.34 2jtr s THR 43 Ca 0.57 -1.95 -0.27 0.00 0.31 0.00 0.00 61.69 60.36 2jtr s THR 43 Cb -0.43 -5.07 -0.02 0.00 0.01 0.00 0.00 72.50 67.00 2jtr s THR 43 CO 0.56 -1.86 1.87 -0.69 -0.69 0.00 0.00 174.62 173.81 2jtr s VAL 44 N 3.45 3.35 0.06 3.82 1.01 -1.17 -2.82 120.40 128.10 2jtr s VAL 44 Ca 0.48 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 2jtr s VAL 44 Cb 0.01 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2jtr s VAL 44 CO 0.02 -0.88 1.14 -0.54 0.00 0.00 0.00 175.10 174.84 2jtr s LYS 45 N 7.05 4.48 -0.02 2.72 1.02 -0.09 -1.89 119.74 133.02 2jtr s LYS 45 Ca 0.68 1.68 0.04 0.00 0.02 0.00 0.00 55.97 58.39 2jtr s LYS 45 Cb -0.13 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.81 2jtr s LYS 45 CO 0.21 -0.17 -0.13 0.14 -0.92 0.00 0.00 175.35 174.47 2jtr s VAL 46 N 0.92 1.06 0.02 3.17 -7.23 -0.39 -1.11 120.40 116.84 2jtr s VAL 46 Ca 0.56 -0.56 -0.19 0.00 -1.81 0.00 0.00 61.98 59.98 2jtr s VAL 46 Cb -0.27 -0.90 0.04 0.00 0.56 0.00 0.00 36.38 35.81 2jtr s VAL 46 CO 0.29 0.31 0.43 -0.72 -0.31 0.00 0.00 175.10 175.10 2jtr s TYR 47 N -0.18 -0.31 0.17 2.82 1.13 -1.24 -1.05 117.35 118.69 2jtr s TYR 47 Ca 0.03 0.36 -0.04 0.00 -1.41 0.00 0.00 57.07 56.00 2jtr s TYR 47 Cb -0.07 0.23 0.02 0.00 -1.10 0.00 0.00 41.96 41.04 2jtr s TYR 47 CO 0.00 -0.55 0.29 0.00 -2.51 0.00 0.00 175.55 172.78 2jtr s ASN 49 N -1.94 6.48 -0.67 0.00 3.84 -1.26 -1.60 114.94 119.78 2jtr s ASN 49 Ca 0.10 2.68 0.00 0.00 0.21 0.00 0.00 52.86 55.85 2jtr s ASN 49 Cb -0.01 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 2jtr s ASN 49 CO 0.07 -0.97 0.00 0.00 -2.79 0.00 0.00 177.10 173.42 2jtr n ALA 50 N 5.58 -0.10 -1.04 1.71 0.00 -1.26 -2.24 120.51 123.16 2jtr n ALA 50 Ca 0.17 0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.70 2jtr n ALA 50 Cb 0.39 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 2jtr n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtr n GLY 51 N -0.02 0.15 0.18 0.00 0.00 -0.63 -4.86 105.19 100.01 2jtr n GLY 51 Ca -0.06 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 2jtr n GLY 51 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jtr h ARG 52 N 0.06 0.55 -0.03 1.61 2.47 -1.72 0.82 114.38 118.14 2jtr h ARG 52 Ca -0.03 -0.31 -0.09 0.00 -1.26 0.00 0.00 59.98 58.30 2jtr h ARG 52 Cb 0.95 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.28 2jtr h ARG 52 CO 0.04 0.91 -0.40 1.96 0.56 0.00 0.00 179.97 183.03 2jtr h GLN 53 N 0.22 0.05 0.03 0.04 7.50 -1.88 -1.38 115.11 119.69 2jtr h GLN 53 Ca 0.03 -0.02 -0.24 0.00 0.50 0.00 0.00 58.65 58.91 2jtr h GLN 53 Cb 0.83 -0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.38 2jtr h GLN 53 CO 0.06 0.45 -0.96 0.66 -1.50 0.00 0.00 178.83 177.54 2jtr h SER 54 N 0.05 0.80 -0.58 1.46 4.64 -1.80 -0.36 113.55 117.75 2jtr h SER 54 Ca 0.00 -0.77 -0.05 0.00 -0.47 0.00 0.00 61.79 60.50 2jtr h SER 54 Cb 0.73 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2jtr h SER 54 CO 0.05 1.47 0.15 1.23 -0.87 0.00 0.00 176.83 178.86 2jtr h GLY 55 N 0.22 1.00 0.75 -0.77 0.00 -0.79 0.48 103.07 103.96 2jtr h GLY 55 Ca -0.13 -0.62 0.04 0.00 0.00 0.00 0.00 47.33 46.63 2jtr h GLY 55 CO 0.19 0.58 0.24 1.46 0.00 0.00 0.00 176.54 179.01 2jtr h GLN 56 N 0.84 0.47 -0.19 4.80 4.20 -1.27 -2.70 115.11 121.26 2jtr h GLN 56 Ca 0.18 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 2jtr h GLN 56 Cb 0.33 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2jtr h GLN 56 CO -0.00 0.31 -0.25 0.00 -0.67 0.00 0.00 178.83 178.22 2jtr h ALA 57 N 1.26 1.22 -0.83 3.87 0.00 -0.54 -2.90 119.26 121.34 2jtr h ALA 57 Ca 0.21 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 54.90 2jtr h ALA 57 Cb 0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2jtr h ALA 57 CO -0.15 0.51 0.54 -0.22 0.00 0.00 0.00 179.25 179.93 2jtr h LYS 58 N 0.32 0.74 0.40 0.00 3.64 -0.57 -0.14 116.57 120.96 2jtr h LYS 58 Ca 0.05 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2jtr h LYS 58 Cb 0.62 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2jtr h LYS 58 CO 0.04 0.49 -0.19 0.93 -2.27 0.00 0.00 179.45 178.45 2jtr h GLU 59 N 0.76 -0.52 -0.29 1.90 5.08 -1.51 -1.93 114.58 118.07 2jtr h GLU 59 Ca 0.39 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.69 2jtr h GLU 59 Cb 0.48 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2jtr h GLU 59 CO -0.16 -0.23 -0.20 -0.84 -1.00 0.00 0.00 179.01 176.58 2jtr h ILE 60 N -0.81 1.26 -0.04 3.13 3.07 -1.48 -2.45 117.51 120.19 2jtr h ILE 60 Ca -0.06 -1.21 -0.21 0.00 1.55 0.00 0.00 64.86 64.93 2jtr h ILE 60 Cb 0.54 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.35 2jtr h ILE 60 CO 0.09 0.39 -0.85 -0.07 -1.05 0.00 0.00 178.15 176.66 2jtr h LEU 61 N 0.49 0.57 -0.89 0.16 3.38 -1.06 0.23 115.31 118.18 2jtr h LEU 61 Ca 0.08 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 2jtr h LEU 61 Cb 0.63 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2jtr h LEU 61 CO 0.04 1.20 -0.16 0.77 0.09 0.00 0.00 178.44 180.38 2jtr h SER 62 N 0.28 0.63 -0.27 -0.43 4.64 -1.24 -0.59 113.55 116.57 2jtr h SER 62 Ca -0.06 -0.19 -0.09 0.00 -0.47 0.00 0.00 61.79 60.97 2jtr h SER 62 Cb 1.47 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 2jtr h SER 62 CO 0.15 0.81 -0.14 -0.33 -0.87 0.00 0.00 176.83 176.45 2jtr h GLU 63 N 0.57 0.70 0.00 4.77 5.08 -1.20 -1.80 114.58 122.69 2jtr h GLU 63 Ca 0.09 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2jtr h GLU 63 Cb 0.61 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2jtr h GLU 63 CO 0.04 0.81 0.00 0.52 -1.00 0.00 0.00 179.01 179.38 2jtr h MET 64 N 0.63 0.00 0.00 2.33 2.86 -0.55 -3.46 114.93 116.74 2jtr h MET 64 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2jtr h MET 64 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 2jtr h MET 64 CO 0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.42 2jtr n GLY 65 N -0.43 1.03 3.56 8.32 0.00 -0.66 -5.05 105.19 111.95 2jtr n GLY 65 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2jtr n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtr s TYR 66 N -2.00 2.10 -2.00 1.61 1.51 -0.32 -4.85 117.35 113.41 2jtr s TYR 66 Ca 0.00 0.05 0.13 0.00 -1.01 0.00 0.00 57.07 56.24 2jtr s TYR 66 Cb 0.00 -4.37 0.79 0.00 -0.11 0.00 0.00 41.96 38.27 2jtr s TYR 66 CO 0.00 -1.96 1.35 0.25 -1.11 0.00 0.00 175.55 174.08 2jtr n THR 67 N 7.19 0.00 -2.17 -0.71 -2.24 -1.24 -3.69 114.28 111.43 2jtr n THR 67 Ca 0.29 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 62.09 2jtr n THR 67 Cb 0.49 -0.37 0.02 0.00 -2.10 0.00 0.00 70.33 68.37 2jtr n THR 67 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2jtr n HIS 68 N -0.77 0.00 -2.35 4.78 8.25 -1.26 -5.06 115.22 118.81 2jtr n HIS 68 Ca 0.10 -0.31 -0.40 0.00 -0.26 0.00 0.00 57.72 56.85 2jtr n HIS 68 Cb 0.05 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.02 2jtr n HIS 68 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jtr s VAL 69 N -0.23 3.23 -0.05 1.59 1.01 -1.24 -3.03 120.40 121.68 2jtr s VAL 69 Ca 0.18 1.20 -0.05 0.00 0.00 0.00 0.00 61.98 63.31 2jtr s VAL 69 Cb 0.20 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2jtr s VAL 69 CO -0.08 0.26 0.14 -0.70 0.00 0.00 0.00 175.10 174.72 2jtr s GLU 70 N -1.69 0.15 -0.58 2.72 2.56 -0.79 -4.95 118.70 116.12 2jtr s GLU 70 Ca 0.48 0.22 -0.28 0.00 0.00 0.00 0.00 54.97 55.38 2jtr s GLU 70 Cb -0.34 0.04 0.02 0.00 2.00 0.00 0.00 34.13 35.86 2jtr s GLU 70 CO 0.44 -0.04 1.29 1.21 -0.56 0.00 0.00 175.26 177.60 2jtr s ASN 71 N 0.22 6.31 0.42 -1.70 3.04 -1.26 -1.27 114.94 120.70 2jtr s ASN 71 Ca -0.01 0.17 0.16 0.00 0.04 0.00 0.00 52.86 53.22 2jtr s ASN 71 Cb -0.02 -2.55 0.92 0.00 -1.54 0.00 0.00 41.25 38.05 2jtr s ASN 71 CO -0.01 -1.59 1.90 0.00 -3.04 0.00 0.00 177.10 174.37 2jtr h ALA 72 N 10.19 1.40 0.00 1.71 0.00 -1.45 -3.47 119.26 127.63 2jtr h ALA 72 Ca -0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jtr h ALA 72 Cb 1.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jtr h ALA 72 CO 1.18 0.35 0.00 0.41 0.00 0.00 0.00 179.25 181.20 2jtr n GLY 73 N -0.57 -0.19 3.34 0.00 0.00 -1.26 -4.92 105.19 101.59 2jtr n GLY 73 Ca -0.02 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.85 2jtr n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtr s GLY 74 N 0.00 1.70 0.23 -0.02 0.00 -1.26 -3.98 107.32 103.99 2jtr s GLY 74 Ca 0.00 -1.85 -0.07 0.00 0.00 0.00 0.00 44.72 42.81 2jtr s GLY 74 CO 0.00 -1.65 1.69 -2.00 0.00 0.00 0.00 173.10 171.14 2jtr h LEU 75 N 2.39 0.02 0.00 0.66 5.85 -1.77 -0.48 115.31 121.97 2jtr h LEU 75 Ca -0.39 0.13 -0.19 0.00 0.84 0.00 0.00 57.88 58.28 2jtr h LEU 75 Cb 1.23 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 2jtr h LEU 75 CO 0.64 -0.02 -0.95 0.11 -0.34 0.00 0.00 178.44 177.88 2jtr h LYS 76 N 0.27 0.00 0.01 1.25 1.57 -1.98 -3.34 116.57 114.35 2jtr h LYS 76 Ca 0.38 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.91 2jtr h LYS 76 Cb 0.62 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.95 2jtr h LYS 76 CO -0.47 0.81 -1.02 0.22 -0.57 0.00 0.00 179.45 178.42 2jtr h ASP 77 N 0.00 0.77 -2.72 0.86 3.58 -1.63 -3.43 116.42 113.85 2jtr h ASP 77 Ca -0.04 -0.62 -0.54 0.00 0.42 0.00 0.00 57.03 56.25 2jtr h ASP 77 Cb 1.69 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 42.51 2jtr h ASP 77 CO 0.11 1.42 0.98 -0.63 -2.88 0.00 0.00 179.24 178.24 2jtr s ILE 78 N -3.28 3.30 -1.24 2.25 1.01 -0.32 -4.90 121.20 118.03 2jtr s ILE 78 Ca -0.08 0.66 0.30 0.00 0.00 0.00 0.00 60.65 61.53 2jtr s ILE 78 Cb 0.08 -3.43 0.39 0.00 0.01 0.00 0.00 42.46 39.51 2jtr s ILE 78 CO 0.90 -0.01 2.00 0.00 0.00 0.00 0.00 174.94 177.82 2jtr n ALA 79 N 5.90 2.42 -1.12 9.38 0.00 -1.26 -4.89 120.51 130.94 2jtr n ALA 79 Ca 0.16 -0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.14 2jtr n ALA 79 Cb 0.42 -1.48 0.12 0.00 0.00 0.00 0.00 19.45 18.51 2jtr n ALA 79 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jtr s MET 80 N -2.77 1.74 1.04 0.00 -1.94 -1.26 -5.03 119.30 111.08 2jtr s MET 80 Ca 0.22 1.66 -0.12 0.00 -1.71 0.00 0.00 55.69 55.73 2jtr s MET 80 Cb 0.20 -1.80 0.21 0.00 2.01 0.00 0.00 34.83 35.45 2jtr s MET 80 CO 0.49 -2.12 1.07 -1.25 -0.01 0.00 0.00 175.02 173.21 2jtr s PRO 81 N -4.24 0.08 0.12 2.03 0.04 -1.26 -5.01 135.00 126.76 2jtr s PRO 81 Ca 0.71 0.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.37 2jtr s PRO 81 Cb -0.26 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2jtr s PRO 81 CO 0.51 -3.00 0.05 0.15 0.04 0.00 0.00 177.00 174.74 2jtr s LYS 82 N -4.82 0.89 0.05 4.56 3.01 -1.26 -4.26 119.74 117.91 2jtr s LYS 82 Ca 0.66 -1.41 -0.01 0.00 -1.01 0.00 0.00 55.97 54.20 2jtr s LYS 82 Cb -0.20 0.24 -0.04 0.00 -1.01 0.00 0.00 37.83 36.82 2jtr s LYS 82 CO 0.60 -0.24 -0.03 0.14 0.51 0.00 0.00 175.35 176.32 2jtr s VAL 83 N -4.03 0.25 0.68 3.17 -7.23 0.15 -4.89 120.40 108.50 2jtr s VAL 83 Ca 0.22 -1.72 -0.15 0.00 -1.81 0.00 0.00 61.98 58.52 2jtr s VAL 83 Cb 0.08 -1.39 0.01 0.00 0.56 0.00 0.00 36.38 35.63 2jtr s VAL 83 CO 0.00 -0.93 1.13 -0.54 -0.31 0.00 0.00 175.10 174.45 2jtr s LYS 84 N -3.64 2.60 0.00 4.82 3.01 -1.26 -0.74 119.74 124.54 2jtr s LYS 84 Ca 0.05 1.47 0.00 0.00 -1.01 0.00 0.00 55.97 56.48 2jtr s LYS 84 Cb 0.06 -1.92 0.00 0.00 -1.01 0.00 0.00 37.83 34.96 2jtr s LYS 84 CO -0.09 -1.42 0.42 0.41 0.51 0.00 0.00 175.35 175.19